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MolNFT v1 · #36006 · protein

Crystal structure of a 40 kda protective signalling protein from bovine (spc-40) at 2.1 a resolution

2ESC · Chitinase-3-like protein 1: “Crystal structure of a 40 kda protective signalling protein from bovine (spc-40) at 2.1 a resolution”. X-ray diffraction, 2 ligands (MAN, NAG), 3 pockets (best druggability 0.58). MolNFT v1 #36006 on…

PDB
2ESC
Type
protein
Length
361 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Chitinase-3-like protein 1
UniProt
P30922
Ligands
MAN, NAG
Pockets
3 · best druggability 0.58

Structure

x-ray diffraction · 1 distinct chain · 36% helix, 24% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AChitinase-3-like protein 1protein36136% helix, 24% strandP30922

Ligands and binding sites

  • MAN · alpha-D-mannopyranose · sugar · 4 copies
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 2 copies · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12920.580.7746empty
2930.430.7921empty
3620.320.7515empty

Modifications

Observed in the structure: 2 disulfide, 1 glycan (disulfide, N-glycosylation).

Compared structures

  • 2ESC · Crystal structure of a 40 KDa protective signalling protein from Bovine (SPC-40) at 2.1 A… · the same entry in another collection · chain A against A, TM-score 1.00
  • P30922 · AlphaFold monomer V2.0 prediction for chitinase-3-like protein 1 (P30922) · a predicted model of the same protein · chain A against A, TM-score 0.99

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